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1-Methoxy-2-propanol → N-[2-[2-[4-[4-(2-hydroxypropyl)piperazin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

HRID 1211277
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HRID 1211277 반응식
[CH3:18][S:19](=[O:20])[c:21]1[n:22][n:23]2[c:24]([cH:25][n:26]1)[cH:27][cH:28][c:29]2-[c:30]1[c:31]([N:36]([S:37](=[O:38])(=[O:39])[CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]1.[CH3:51][O:52][CH2:53][CH:54]([OH:55])[CH3:56].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]([CH3:16])[OH:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH:15]([CH3:16])[OH:17])[CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:21]1[n:22][n:23]2[c:24]([cH:25][n:26]1)[cH:27][cH:28][c:29]2-[c:30]1[c:31]([N:36]([S:37](=[O:38])(=[O:39])[CH3:40])[CH3:41])[cH:32][cH:33][cH:34][cH:35]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 79001-Methoxy-2-propanolHCID 81531DiisopropylethylamineHCID 242791851-[4-(4-Aminophenyl)piperazin-1-yl]propan-2-olHCID 54577677N-[2-(2-M ethanesulfinyl-pyrrolo[2,1-f][1,2,4]triazin-7-yl)-phenyl]-N-methyl-methanesulfonamide

생성물 1

HCID 66710931N-[2-[2-[4-[4-(2-hydroxypropyl)piperazin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

출처 및 근거

ORD 기록
ord-48a4fb6ca8f8470d9d0b0ad28a60de44
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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